Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.

HCNH+


Ion clustering data

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

CH2N+ + Hydrogen cyanide = (CH2N+ bullet Hydrogen cyanide)

By formula: CH2N+ + CHN = (CH2N+ bullet CHN)

Quantity Value Units Method Reference Comment
Deltar109.kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; «DELTA»rH, «DELTA»rS too small compared with other nitrile dimers
Deltar126.kJ/molPHPMSMeot-Ner (Mautner), 1978gas phase
Quantity Value Units Method Reference Comment
Deltar96.2J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; «DELTA»rH, «DELTA»rS too small compared with other nitrile dimers
Deltar130.J/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase

(CH2N+ bullet Hydrogen cyanide) + Hydrogen cyanide = (CH2N+ bullet 2Hydrogen cyanide)

By formula: (CH2N+ bullet CHN) + CHN = (CH2N+ bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar57.7kJ/molPHPMSMeot-Ner (Mautner), 1978gas phase
Quantity Value Units Method Reference Comment
Deltar96.J/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase

(CH2N+ bullet 2Hydrogen cyanide) + Hydrogen cyanide = (CH2N+ bullet 3Hydrogen cyanide)

By formula: (CH2N+ bullet 2CHN) + CHN = (CH2N+ bullet 3CHN)

Quantity Value Units Method Reference Comment
Deltar49.4kJ/molPHPMSMeot-Ner (Mautner), 1978gas phase
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase

(CH2N+ bullet 3Hydrogen cyanide) + Hydrogen cyanide = (CH2N+ bullet 4Hydrogen cyanide)

By formula: (CH2N+ bullet 3CHN) + CHN = (CH2N+ bullet 4CHN)

Quantity Value Units Method Reference Comment
Deltar38.kJ/molPHPMSMeot-Ner (Mautner), 1978gas phase
Quantity Value Units Method Reference Comment
Deltar109.J/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase

(CH2N+ bullet Hydrogen cyanide) + Water = (CH2N+ bullet Water bullet Hydrogen cyanide)

By formula: (CH2N+ bullet CHN) + H2O = (CH2N+ bullet H2O bullet CHN)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar84.1kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Quantity Value Units Method Reference Comment
Deltar87.0J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n

(CH2N+ bullet Hydrogen cyanide bullet Water) + Hydrogen cyanide = (CH2N+ bullet 2Hydrogen cyanide bullet Water)

By formula: (CH2N+ bullet CHN bullet H2O) + CHN = (CH2N+ bullet 2CHN bullet H2O)

Quantity Value Units Method Reference Comment
Deltar65.3kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/AMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar35.kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated

CH2N+ + Formaldehyde = (CH2N+ bullet Formaldehyde)

By formula: CH2N+ + CH2O = (CH2N+ bullet CH2O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar91.2kJ/molFATanaka, Mackay, et al., 1978gas phase; switching reaction(HCNH+)HCN; Meot-Ner (Mautner), 1978

CH2N+ + Water = (CH2N+ bullet Water)

By formula: CH2N+ + H2O = (CH2N+ bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar115.kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Deltar124.kJ/molICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992
Quantity Value Units Method Reference Comment
Deltar101.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Deltar120.J/mol*KN/ABerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
87.9300.ICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992

(CH2N+ bullet Water) + Hydrogen cyanide = (CH2N+ bullet Hydrogen cyanide bullet Water)

By formula: (CH2N+ bullet H2O) + CHN = (CH2N+ bullet CHN bullet H2O)

Quantity Value Units Method Reference Comment
Deltar78.7kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Quantity Value Units Method Reference Comment
Deltar85.4J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n

(CH2N+ bullet 2Water) + Hydrogen cyanide = (CH2N+ bullet Hydrogen cyanide bullet 2Water)

By formula: (CH2N+ bullet 2H2O) + CHN = (CH2N+ bullet CHN bullet 2H2O)

Quantity Value Units Method Reference Comment
Deltar70.7kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Quantity Value Units Method Reference Comment
Deltar101.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n

(CH2N+ bullet Water bullet Hydrogen cyanide) + Water = (CH2N+ bullet 2Water bullet Hydrogen cyanide)

By formula: (CH2N+ bullet H2O bullet CHN) + H2O = (CH2N+ bullet 2H2O bullet CHN)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar70.7kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Quantity Value Units Method Reference Comment
Deltar99.6J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n

(CH2N+ bullet Water) + Water = (CH2N+ bullet 2Water)

By formula: (CH2N+ bullet H2O) + H2O = (CH2N+ bullet 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar89.5kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Quantity Value Units Method Reference Comment
Deltar106.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n

(CH2N+ bullet 2Water) + Water = (CH2N+ bullet 3Water)

By formula: (CH2N+ bullet 2H2O) + H2O = (CH2N+ bullet 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar72.0kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n

CH2N+ + Nitrogen = (CH2N+ bullet Nitrogen)

By formula: CH2N+ + N2 = (CH2N+ bullet N2)

Quantity Value Units Method Reference Comment
Deltar32.kJ/molHPMSSpeller, Fitaire, et al., 1982gas phase
Quantity Value Units Method Reference Comment
Deltar92.9J/mol*KHPMSSpeller, Fitaire, et al., 1982gas phase

(CH2N+ bullet Nitrogen) + Nitrogen = (CH2N+ bullet 2Nitrogen)

By formula: (CH2N+ bullet N2) + N2 = (CH2N+ bullet 2N2)

Quantity Value Units Method Reference Comment
Deltar21.kJ/molHPMSSpeller, Fitaire, et al., 1982gas phase
Quantity Value Units Method Reference Comment
Deltar83.3J/mol*KHPMSSpeller, Fitaire, et al., 1982gas phase

(CH2N+ bullet 2Nitrogen) + Nitrogen = (CH2N+ bullet 3Nitrogen)

By formula: (CH2N+ bullet 2N2) + N2 = (CH2N+ bullet 3N2)

Quantity Value Units Method Reference Comment
Deltar13.kJ/molHPMSSpeller, Fitaire, et al., 1982gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Deltar54.8J/mol*KHPMSSpeller, Fitaire, et al., 1982gas phase; Entropy change is questionable

(CH2N+ bullet 3Nitrogen) + Nitrogen = (CH2N+ bullet 4Nitrogen)

By formula: (CH2N+ bullet 3N2) + N2 = (CH2N+ bullet 4N2)

Quantity Value Units Method Reference Comment
Deltar13.kJ/molHPMSSpeller, Fitaire, et al., 1982gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Deltar57.7J/mol*KHPMSSpeller, Fitaire, et al., 1982gas phase; Entropy change is questionable

(CH2N+ bullet 4Nitrogen) + Nitrogen = (CH2N+ bullet 5Nitrogen)

By formula: (CH2N+ bullet 4N2) + N2 = (CH2N+ bullet 5N2)

Quantity Value Units Method Reference Comment
Deltar13.kJ/molHPMSSpeller, Fitaire, et al., 1982gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Deltar63.6J/mol*KHPMSSpeller, Fitaire, et al., 1982gas phase; Entropy change is questionable

References

Go To: Top, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Speller and Meot-Ner (Mautner), 1985
Speller, C.V.; Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 3. Bonds Involving Cyanides. Correlations with Proton Affinites, J. Phys. Chem., 1985, 81, 24, 5217, https://doi.org/10.1021/j100270a020 . [all data]

Meot-Ner (Mautner), 1978
Meot-Ner (Mautner), M., Solvation of the Proton by HCN and CH3CN. Condensation of HCN with Ions in the Gas Phase., J. Am. Chem. Soc., 1978, 100, 15, 4694, https://doi.org/10.1021/ja00483a012 . [all data]

Meot-Ner (Mautner) and Speller, 1989
Meot-Ner (Mautner), M.; Speller, C.V., Multicomponent Cluster Ions.3. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide, J. Phys. Chem., 1989, 93, 6580. [all data]

Tanaka, Mackay, et al., 1978
Tanaka, K.; Mackay, G.I.; Bohme, D.K., Rate and Equilibrium Constant Measurements for Gas-Phase Proton-Transfer Reactions Involving H2O, H2S, HCN, and H2CO, Can. J. Chem., 1978, 56, 2, 193, https://doi.org/10.1139/v78-031 . [all data]

Berman and Beauchamp, 1980
Berman, D.W.; Beauchamp, J.L., A Novel Bimolecular Reaction Sequence Yielding H(OH2)2+ at Low Pressures. Ion Cyclotron Resonance Studies of the Reaction of Doubly Solvated Protons, J. Phys. Chem., 1980, 84, 18, 2233, https://doi.org/10.1021/j100455a004 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Fehsenfeld, Dotan, et al., 1978
Fehsenfeld, F.C.; Dotan, I.; Albritton, D.L.; Howard, C.J.; Ferguson, E.E., Stratospheric Positive Ion Chemistry of Formaldehyde and Methanol, J. Geophys. Res., 1978, 83, C3, 1333, https://doi.org/10.1029/JC083iC03p01333 . [all data]

Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M., Intermolecular Forces in Organic Clusters, J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024 . [all data]

Speller, Fitaire, et al., 1982
Speller, C.V.; Fitaire, M.; Pointu, A.M., H2CN+.nN2 Clustering Formation and the Atmosphere of Titan, Nature, 1982, 300, 5892, 507, https://doi.org/10.1038/300507a0 . [all data]


Notes

Go To: Top, Ion clustering data, References